3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone

C22H38N2O6 — CID 10387757

IUPAC3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
SMILESCCC1COC(=O)CCCCCC(=O)NC(CC)COC(=O)CCCCCC(=O)N1
InChIInChI=1S/C22H38N2O6/c1-3-17-15-29-21(27)13-9-6-8-12-20(26)24-18(4-2)16-30-22(28)14-10-5-7-11-19(25)23-17/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGFFSHYCHVDRLIE-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.78
Rot. Bonds2

About 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone

3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone (PubChem CID 10387757) has the molecular formula C22H38N2O6 and a molecular weight of 426.55 g/mol. Its IUPAC name is 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone.

Molecular Properties

Compound Name3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
PubChem CID10387757
Molecular FormulaC22H38N2O6
Molecular Weight426.55 g/mol
Exact Mass426.27
IUPAC Name3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
SMILESCCC1COC(=O)CCCCCC(=O)NC(CC)COC(=O)CCCCCC(=O)N1
InChIInChI=1S/C22H38N2O6/c1-3-17-15-29-21(27)13-9-6-8-12-20(26)24-18(4-2)16-30-22(28)14-10-5-7-11-19(25)23-17/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGFFSHYCHVDRLIE-UHFFFAOYSA-N
XLogP2.78
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(6S)-6-methyloxepan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone?
The IUPAC name of 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone (CID 10387757) is 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone.
What is the SMILES notation for 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone?
The canonical SMILES for 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone is CCC1COC(=O)CCCCCC(=O)NC(CC)COC(=O)CCCCCC(=O)N1.
What is the InChIKey of 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone?
The InChIKey is GFFSHYCHVDRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O6/c1-3-17-15-29-21(27)13-9-6-8-12-20(26)24-18(4-2)16-30-22(28)14-10-5-7-11-19(25)23-17/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone?
3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone has a molecular weight of 426.55 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone is sourced from PubChem (CID 10387757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).